4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide

C16H13ClFN3O2S — CID 17376586

IUPAC4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O2S/c17-13-3-7-16(8-4-13)24(22,23)20-15-9-19-21(11-15)10-12-1-5-14(18)6-2-12/h1-9,11,20H,10H2
InChIKeyUDJKPLOQQAFNGI-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.52
Rot. Bonds5

About 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide

4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 17376586) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID17376586
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC Name4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O2S/c17-13-3-7-16(8-4-13)24(22,23)20-15-9-19-21(11-15)10-12-1-5-14(18)6-2-12/h1-9,11,20H,10H2
InChIKeyUDJKPLOQQAFNGI-UHFFFAOYSA-N
XLogP3.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide (CID 17376586) is 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is UDJKPLOQQAFNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c17-13-3-7-16(8-4-13)24(22,23)20-15-9-19-21(11-15)10-12-1-5-14(18)6-2-12/h1-9,11,20H,10H2.
What are the key properties of 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 365.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 17376586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).